Crystallography Open Database

Information card for entry 1501871

Preview

Coordinates	1501871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H47 O6
Calculated formula	C28 H47 O6
SMILES	[C@]1(CC[C@H]2C(CCC=C2[C@H]1OCOC)(C)C)(C[C@@]1(CC(C)C)OCCO1)COC(=O)C(C)(C)C
Title of publication	Total synthesis of (-)-Przewalskin B.
Authors of publication	Zheng, Jiyue; Xie, Xingang; Zhao, Changgui; He, Yongping; Zheng, Huaiji; Yang, Zhen; She, Xuegong
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	2
Pages of publication	173 - 175
a	11.193 ± 0.009 Å
b	10.374 ± 0.008 Å
c	13.163 ± 0.01 Å
α	90°
β	106.797 ± 0.007°
γ	90°
Cell volume	1463 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1091
Residual factor for significantly intense reflections	0.0746
Weighted residual factors for significantly intense reflections	0.1964
Weighted residual factors for all reflections included in the refinement	0.2242
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1501871.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501871.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501871.cif
35219	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501871 via cif-deposit CGI script.	1501871.cif